6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

C13H16N4S2 — CID 106036160

IUPAC6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H16N4S2/c1-8-3-4-11(12(14)18)13(16-8)15-6-5-10-7-19-9(2)17-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVBRCIVBLIWZWBB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.44
Rot. Bonds5

About 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 106036160) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID106036160
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H16N4S2/c1-8-3-4-11(12(14)18)13(16-8)15-6-5-10-7-19-9(2)17-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVBRCIVBLIWZWBB-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
CID 63828659
3-[(3-carbamothioyl-6-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 114167405
2-chloro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 55152436
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
2-(4-carbamothioylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106035385
2-bromo-3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 107534862
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (CID 106036160) is 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NCCc2csc(C)n2)n1.
What is the InChIKey of 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is VBRCIVBLIWZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-8-3-4-11(12(14)18)13(16-8)15-6-5-10-7-19-9(2)17-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 106036160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).